7A5N

Structure of DYRK1A in complex with compound 34

Summary for 7A5N

• Entry DOI: 10.2210/pdb7a5n/pdb
• Related: 7a4o 7a4r 7a4s 7a4w 7a4z 7a51 7a52 7a53 7a55 7a5b 7a5d 7a8l
• Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: serine/threonine-protein kinase, phosphoprotein, kinase, sbdd, fbld, small molecule inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 84133.35

Authors

Dokurno, P.,Surgenor, A.E.,Hubbard, R.E. (deposition date: 2020-08-21, release date: 2021-06-30, Last modification date: 2024-01-31)

• Primary citation: Lee Walmsley, D.,Murray, J.B.,Dokurno, P.,Massey, A.J.,Benwell, K.,Fiumana, A.,Foloppe, N.,Ray, S.,Smith, J.,Surgenor, A.E.,Edmonds, T.,Demarles, D.,Burbridge, M.,Cruzalegui, F.,Kotschy, A.,Hubbard, R.E.; Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.; J.Med.Chem., 64:8971-8991, 2021; PubMed: 34143631; DOI: 10.1021/acs.jmedchem.1c00024

Experimental method

X-RAY DIFFRACTION (2.3 Å)